C175H120N5O5P5 — CID 165025099
7-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]naphtho[2,1-g]quinoline;6-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]naphtho[2,1-h]quinoline;12-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]naphtho[1,2-h]quinoline;4-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]pyridine;3-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]quinoline (PubChem CID 165025099) has the molecular formula C175H120N5O5P5 and a molecular weight of 2527.78 g/mol. Its IUPAC name is 7-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]naphtho[2,1-g]quinoline;6-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]naphtho[2,1-h]quinoline;12-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]naphtho[1,2-h]quinoline;4-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]pyridine;3-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]quinoline.
| Compound Name | 7-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]naphtho[2,1-g]quinoline;6-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]naphtho[2,1-h]quinoline;12-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]naphtho[1,2-h]quinoline;4-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]pyridine;3-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]quinoline |
|---|---|
| PubChem CID | 165025099 |
| Molecular Formula | C175H120N5O5P5 |
| Molecular Weight | 2527.78 g/mol |
| Exact Mass | 2525.80 |
| IUPAC Name | 7-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]naphtho[2,1-g]quinoline;6-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]naphtho[2,1-h]quinoline;12-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]naphtho[1,2-h]quinoline;4-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]pyridine;3-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]quinoline |
| SMILES | O=P(c1ccccc1)(c1ccc(-c2c3cccnc3cc3c2ccc2ccccc23)cc1)c1ccc2ccccc2c1.O=P(c1ccccc1)(c1ccc(-c2cc3c4ccccc4ccc3c3ncccc23)cc1)c1ccc2ccccc2c1.O=P(c1ccccc1)(c1ccc(-c2cc3cccnc3c3c2ccc2ccccc23)cc1)c1ccc2ccccc2c1.O=P(c1ccccc1)(c1ccc(-c2ccncc2)cc1)c1cccc2ccccc12.O=P(c1ccccc1)(c1ccc(-c2cnc3ccccc3c2)cc1)c1cccc2ccccc12 |
| InChI | InChI=1S/3C39H26NOP.C31H22NOP.C27H20NOP/c41-42(32-13-2-1-3-14-32,34-22-16-27-9-4-5-11-30(27)25-34)33-20-17-29(18-21-33)37-26-31-12-8-24-40-39(31)38-35-15-7-6-10-28(35)19-23-36(37)38;41-42(31-12-2-1-3-13-31,33-22-16-27-9-4-5-11-30(27)25-33)32-20-17-29(18-21-32)39-35-23-19-28-10-6-7-14-34(28)37(35)26-38-36(39)15-8-24-40-38;41-42(31-12-2-1-3-13-31,33-22-16-27-9-4-5-11-30(27)25-33)32-20-17-29(18-21-32)37-26-38-34-14-7-6-10-28(34)19-23-36(38)39-35(37)15-8-24-40-39;33-34(27-12-2-1-3-13-27,31-16-8-11-24-9-4-6-14-29(24)31)28-19-17-23(18-20-28)26-21-25-10-5-7-15-30(25)32-22-26;29-30(24-9-2-1-3-10-24,27-12-6-8-23-7-4-5-11-26(23)27)25-15-13-21(14-16-25)22-17-19-28-20-18-22/h3*1-26H;1-22H;1-20H |
| InChIKey | LTKRKBJUKAAPTR-UHFFFAOYSA-N |
| XLogP | 39.24 |
| TPSA | 149.80 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 190 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2527.78 |
| LogP ≤ 5 | 39.24 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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